SCHEMBL29427392

SCHEMBL29427392

O=C(Cn1nc(Cl)c2ccccc21)OCCC(F)=C(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ TP53 P04637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29427421 0.86 KDM4E (0.44) KMT2AKDM4EALDH1A1LMNAHPGD
SCHEMBL29427332 0.77 ELANE (0.33) ALDH1A1HPGDMAPTFNTAFNTB
SCHEMBL29427322 0.76 GAA (0.41) KMT2AKDM4EALDH1A1LMNAHPGD
SCHEMBL29427367 0.76 TP53 (0.59) KMT2AALDH1A1SMN1; SMN2HSD17B10GAA
SCHEMBL29427366 0.76 KMO (0.49) KMT2ALMNASMN1; SMN2HSD17B10GAA
SCHEMBL29427418 0.74 GAA (0.34) KMT2AKDM4EALDH1A1LMNAHPGD
SCHEMBL13663041 0.72 LMNA (0.50) KMT2AKDM4EALDH1A1LMNAHPGD
SCHEMBL29427372 0.71 LMNA (0.51) KMT2AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL29427334 0.71 HTT (0.48) KMT2AKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL29427305 0.70 CYP1A1 (0.41) KMT2AKDM4EALDH1A1LMNAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022064453-A1 NEMATOCIDAL COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2022-03-31 — — WO claimed
WO-2022064453-A1 NEMATOCIDAL COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2022-03-31 — — WO disclosed
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